7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one

C22H21NO4 — CID 1079186

IUPAC7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc43)ccc12
InChIInChI=1S/C22H21NO4/c1-2-5-16-12-22(25)27-20-13-17(8-9-18(16)20)26-14-21(24)23-11-10-15-6-3-4-7-19(15)23/h3-4,6-9,12-13H,2,5,10-11,14H2,1H3
InChIKeyYRRZKJPJGOXLKP-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.71
Rot. Bonds5

About 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one

7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one (PubChem CID 1079186) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
PubChem CID1079186
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc43)ccc12
InChIInChI=1S/C22H21NO4/c1-2-5-16-12-22(25)27-20-13-17(8-9-18(16)20)26-14-21(24)23-11-10-15-6-3-4-7-19(15)23/h3-4,6-9,12-13H,2,5,10-11,14H2,1H3
InChIKeyYRRZKJPJGOXLKP-UHFFFAOYSA-N
XLogP3.71
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one (CID 1079186) is 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc43)ccc12.
What is the InChIKey of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
The InChIKey is YRRZKJPJGOXLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-2-5-16-12-22(25)27-20-13-17(8-9-18(16)20)26-14-21(24)23-11-10-15-6-3-4-7-19(15)23/h3-4,6-9,12-13H,2,5,10-11,14H2,1H3.
What are the key properties of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one has a molecular weight of 363.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-propylchromen-2-one is sourced from PubChem (CID 1079186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).